Geometry & MOs

Info

ID:	177878
PubChem CID:	76248793
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	418.187915
ΔH_f, kcal/mol:	52.2
Dipole, Da:	3.95
IP(EA), eV:	-9.81(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(3-ethyl-2,4-dioxo-4aH-quinazolin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations